SCHEMBL4304420

SCHEMBL4304420

COc1cccc([C@@H](C(N)=O)C(=O)NCc2ccc(N)nc2)c1

nearest known ligand 0.47

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
MEN1 O00255 2/20 0.47
KMT2A Q03164 2/20 0.47
POLB P06746 1/20 0.47
L3MBTL1 Q9Y468 1/20 0.44
ALDH1A1 P00352 2/20 0.43
LMNA P02545 2/20 0.43
CDK8 P49336 1/20 0.43
MASP2 O00187 1/20 0.42
KDM4E B2RXH2 1/20 0.42
USP2 O75604 1/20 0.42
HPGD P15428 1/20 0.42
ROCK2 O75116 1/20 0.41
SMO Q99835 1/20 0.41
NAMPT P43490 1/20 0.41
HTT P42858 1/20 0.41

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4312613 0.87 SMN1; SMN2 (0.45) MEN1KMT2APOLBL3MBTL1ALDH1A1
SCHEMBL4308748 0.86 MASP2 (0.44) MEN1KMT2AALDH1A1CDK8MASP2
SCHEMBL4306839 0.84 NAMPT (0.47) MEN1KMT2ALMNACDK8MASP2
SCHEMBL4309422 0.84 NAMPT (0.43) CDK8MASP2NAMPT
SCHEMBL4303439 0.83 NAMPT (0.53) MEN1KMT2APOLBMASP2NAMPT
SCHEMBL4309586 0.81 F2 (0.45) MEN1KMT2APOLBCDK8NAMPT
SCHEMBL4312874 0.81 VNN1 (0.55) MASP2NAMPT
SCHEMBL3154324 0.81 ROCK2 (0.48) MEN1KMT2APOLBALDH1A1LMNA
SCHEMBL4309246 0.79 MEN1 (0.43) MEN1KMT2APOLBLMNAMASP2
SCHEMBL4305726 0.78 NAMPT (0.45) MEN1KMT2AMASP2NAMPT

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2009133348-A1 AMINOPYRIDINE DERIVATIVES VANTIA LIMITED (GB) 2009-11-05 WO disclosed